P3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.51Å | 1.39Å | |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| O12 | C18 | sing | 1.43Å | 1.43Å | |
| O15 | P2 | doub | 1.48Å | 1.51Å | |
| C24 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.55Å | 1.48Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C22 | C21 | sing | 1.51Å | 1.41Å | |
| C17 | O11 | sing | 1.43Å | 1.43Å | |
| C17 | C16 | sing | 1.55Å | 1.52Å | |
| O14 | P2 | sing | 1.61Å | 1.51Å | |
| N8 | C12 | sing | 1.37Å | 1.33Å | |
| N9 | C12 | sing | 1.36Å | 1.39Å | |
| N9 | C13 | sing | 1.35Å | 1.40Å | |
| P2 | O16 | sing | 1.61Å | 1.65Å | |
| P2 | O13 | sing | 1.61Å | 1.60Å | |
| C12 | N7 | doub | 1.31Å | 1.34Å | |
| O10 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | C14 | sing | 1.41Å | 1.34Å | |
| N7 | C15 | sing | 1.35Å | 1.34Å | |
| C14 | C15 | doub | 1.40Å | 1.33Å | Aromatic |
| C14 | N6 | sing | 1.38Å | 1.34Å | Aromatic |
| C15 | N10 | sing | 1.34Å | 1.33Å | Aromatic |
| O16 | P3 | sing | 1.61Å | 1.62Å | |
| N6 | C21 | sing | 1.47Å | 1.50Å | |
| N6 | C11 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O9 | sing | 1.44Å | 1.44Å | |
| N10 | C11 | doub | 1.31Å | 1.33Å | Aromatic |
| N10 | C16 | sing | 1.46Å | 1.49Å | |
| C20 | O13 | sing | 1.43Å | 1.42Å | |
| C16 | O9 | sing | 1.44Å | 1.46Å | |
| O2 | C6 | sing | 1.43Å | 1.43Å | |
| O18 | P3 | doub | 1.48Å | 1.43Å | |
| O6 | P1 | doub | 1.48Å | 1.51Å | |
| P3 | O17 | sing | 1.61Å | 1.43Å | |
| P3 | O8 | sing | 1.61Å | 1.46Å | |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.55Å | 1.51Å | |
| C6 | C5 | sing | 1.54Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| O5 | P1 | sing | 1.61Å | 1.63Å | |
| O5 | C9 | sing | 1.43Å | 1.45Å | |
| O8 | P1 | sing | 1.61Å | 1.65Å | |
| P1 | O7 | sing | 1.61Å | 1.52Å | |
| C5 | N5 | sing | 1.47Å | 1.46Å | |
| C5 | O4 | sing | 1.44Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | O4 | sing | 1.44Å | 1.44Å | |
| C10 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C10 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| N5 | C2 | sing | 1.37Å | 1.33Å | Aromatic |
| N4 | C3 | sing | 1.36Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.34Å | 1.34Å | |
| C3 | C4 | sing | 1.41Å | 1.33Å | |
| N3 | C1 | doub | 1.31Å | 1.34Å | |
| C4 | O1 | doub | 1.22Å | 1.23Å | |
| C4 | N1 | sing | 1.35Å | 1.40Å | |
| C1 | N2 | sing | 1.37Å | 1.33Å | |
| C1 | N1 | sing | 1.36Å | 1.39Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å | |
| N2 | H25 | sing | 0.97Å | 1.00Å | |
| N2 | H26 | sing | 0.97Å | 1.00Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| N9 | H29 | sing | 0.97Å | 1.00Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å | |
| O3 | H31 | sing | 0.97Å | 0.95Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å | |
| O11 | H33 | sing | 0.97Å | 0.95Å | |
| O12 | H34 | sing | 0.97Å | 0.95Å | |
| O14 | H35 | sing | 0.97Å | 0.95Å | |
| O17 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C25 | 120.2° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.1° |
| C27 | C28 | H21 | 109.5° | 109.5° |
| C27 | C28 | H22 | 109.4° | 109.5° |
| C27 | C28 | H23 | 109.5° | 109.5° |
| C27 | C25 | C23 | 119.5° | 120.0° |
| C25 | C27 | C26 | 120.0° | 119.9° |
| C27 | C25 | H19 | 120.2° | 119.9° |
| C25 | C23 | C24 | 120.2° | 120.0° |
| C25 | C23 | H17 | 119.9° | 120.0° |
| C23 | C25 | H19 | 120.3° | 120.0° |
| C27 | C26 | C22 | 121.1° | 120.1° |
| C27 | C26 | H20 | 119.5° | 120.0° |
| C23 | C24 | C22 | 120.6° | 120.0° |
| C24 | C23 | H17 | 119.9° | 120.0° |
| C23 | C24 | H18 | 119.7° | 120.0° |
| C26 | C22 | C24 | 118.6° | 120.0° |
| C26 | C22 | C21 | 122.2° | 120.0° |
| C22 | C26 | H20 | 119.4° | 120.0° |
| O12 | C18 | C17 | 109.5° | 110.5° |
| O12 | C18 | C19 | 110.2° | 110.5° |
| O12 | C18 | H11 | 113.4° | 110.6° |
| C18 | O12 | H34 | 109.5° | 114.1° |
| O15 | P2 | O14 | 112.8° | 109.4° |
| O15 | P2 | O16 | 105.8° | 109.4° |
| O15 | P2 | O13 | 105.8° | 109.5° |
| C24 | C22 | C21 | 119.2° | 120.0° |
| C22 | C24 | H18 | 119.7° | 120.0° |
| C17 | C18 | C19 | 98.5° | 104.1° |
| C18 | C17 | O11 | 109.2° | 110.5° |
| C18 | C17 | C16 | 101.3° | 104.1° |
| C18 | C17 | H10 | 112.1° | 110.7° |
| C17 | C18 | H11 | 112.5° | 110.5° |
| C18 | C19 | C20 | 106.9° | 110.3° |
| C18 | C19 | O9 | 100.6° | 104.8° |
| C19 | C18 | H11 | 111.7° | 110.5° |
| C18 | C19 | H12 | 110.4° | 110.4° |
| C22 | C21 | N6 | 113.5° | 109.5° |
| C22 | C21 | H15 | 108.5° | 109.5° |
| C22 | C21 | H16 | 108.5° | 109.4° |
| O11 | C17 | C16 | 109.3° | 110.5° |
| O11 | C17 | H10 | 112.8° | 110.5° |
| C17 | O11 | H33 | 109.5° | 114.0° |
| C17 | C16 | N10 | 110.8° | 110.5° |
| C17 | C16 | O9 | 103.8° | 104.8° |
| C17 | C16 | H9 | 110.2° | 110.4° |
| C16 | C17 | H10 | 111.5° | 110.5° |
| O14 | P2 | O16 | 112.8° | 109.5° |
| O14 | P2 | O13 | 112.9° | 109.5° |
| P2 | O14 | H35 | 109.5° | 114.0° |
| N8 | C12 | N9 | 120.5° | 119.0° |
| N8 | C12 | N7 | 120.4° | 119.0° |
| C12 | N8 | H27 | 120.0° | 120.0° |
| C12 | N8 | H28 | 120.0° | 120.0° |
| C12 | N9 | C13 | 118.5° | 120.3° |
| N9 | C12 | N7 | 119.0° | 122.0° |
| C12 | N9 | H29 | 120.8° | 119.8° |
| N9 | C13 | O10 | 117.6° | 120.8° |
| N9 | C13 | C14 | 120.0° | 118.4° |
| C13 | N9 | H29 | 120.8° | 119.9° |
| O16 | P2 | O13 | 106.0° | 109.5° |
| P2 | O16 | P3 | 120.2° | 134.0° |
| P2 | O13 | C20 | 120.1° | 123.0° |
| C12 | N7 | C15 | 121.2° | 121.0° |
| O10 | C13 | C14 | 122.3° | 120.8° |
| C13 | C14 | C15 | 119.8° | 119.1° |
| C13 | C14 | N6 | 133.2° | 134.8° |
| N7 | C15 | C14 | 121.4° | 119.2° |
| N7 | C15 | N10 | 129.5° | 133.9° |
| C15 | C14 | N6 | 106.9° | 106.2° |
| C14 | C15 | N10 | 108.9° | 106.9° |
| C14 | N6 | C21 | 128.0° | 126.4° |
| C14 | N6 | C11 | 108.4° | 107.1° |
| C15 | N10 | C11 | 108.0° | 109.8° |
| C15 | N10 | C16 | 113.3° | 125.1° |
| O16 | P3 | O18 | 112.3° | 109.5° |
| O16 | P3 | O17 | 105.3° | 109.5° |
| O16 | P3 | O8 | 105.5° | 109.5° |
| C21 | N6 | C11 | 123.6° | 126.5° |
| N6 | C21 | H15 | 108.5° | 109.5° |
| N6 | C21 | H16 | 108.5° | 109.5° |
| N6 | C11 | N10 | 107.6° | 110.0° |
| N6 | C11 | H8 | 126.2° | 125.0° |
| C20 | C19 | O9 | 116.0° | 110.4° |
| C19 | C20 | O13 | 110.4° | 109.4° |
| C20 | C19 | H12 | 110.5° | 110.3° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| C19 | C20 | H14 | 109.2° | 109.5° |
| C19 | O9 | C16 | 108.6° | 105.3° |
| O9 | C19 | H12 | 111.9° | 110.5° |
| C11 | N10 | C16 | 138.4° | 125.1° |
| N10 | C11 | H8 | 126.2° | 125.0° |
| N10 | C16 | O9 | 110.3° | 110.4° |
| N10 | C16 | H9 | 110.6° | 110.3° |
| O13 | C20 | H13 | 109.3° | 109.4° |
| O13 | C20 | H14 | 109.2° | 109.4° |
| O9 | C16 | H9 | 111.0° | 110.4° |
| O2 | C6 | C7 | 109.4° | 110.5° |
| O2 | C6 | C5 | 109.7° | 110.5° |
| O2 | C6 | H2 | 113.6° | 110.5° |
| C6 | O2 | H30 | 109.5° | 114.0° |
| O18 | P3 | O17 | 113.3° | 109.5° |
| O18 | P3 | O8 | 113.5° | 109.5° |
| O6 | P1 | O5 | 105.7° | 109.5° |
| O6 | P1 | O8 | 106.0° | 109.5° |
| O6 | P1 | O7 | 112.7° | 109.5° |
| O17 | P3 | O8 | 106.3° | 109.5° |
| P3 | O17 | H36 | 109.5° | 114.0° |
| P3 | O8 | P1 | 120.0° | 134.0° |
| O3 | C7 | C6 | 109.9° | 110.5° |
| O3 | C7 | C8 | 109.4° | 110.5° |
| O3 | C7 | H3 | 112.6° | 110.6° |
| C7 | O3 | H31 | 109.5° | 114.0° |
| C7 | C6 | C5 | 98.4° | 104.1° |
| C6 | C7 | C8 | 102.0° | 104.0° |
| C7 | C6 | H2 | 112.4° | 110.5° |
| C6 | C7 | H3 | 111.4° | 110.5° |
| C6 | C5 | N5 | 113.6° | 110.4° |
| C6 | C5 | O4 | 99.3° | 104.8° |
| C6 | C5 | H1 | 113.7° | 110.5° |
| C5 | C6 | H2 | 112.3° | 110.5° |
| C7 | C8 | C9 | 108.2° | 110.4° |
| C7 | C8 | O4 | 102.9° | 104.8° |
| C8 | C7 | H3 | 111.1° | 110.5° |
| C7 | C8 | H4 | 111.5° | 110.4° |
| P1 | O5 | C9 | 120.0° | 123.0° |
| O5 | P1 | O8 | 106.2° | 109.5° |
| O5 | P1 | O7 | 112.7° | 109.4° |
| O5 | C9 | C8 | 116.1° | 109.5° |
| O5 | C9 | H5 | 107.8° | 109.5° |
| O5 | C9 | H6 | 107.8° | 109.5° |
| O8 | P1 | O7 | 112.9° | 109.5° |
| P1 | O7 | H32 | 109.5° | 114.0° |
| N5 | C5 | O4 | 98.6° | 110.3° |
| C5 | N5 | C10 | 128.3° | 126.3° |
| C5 | N5 | C2 | 122.8° | 126.2° |
| N5 | C5 | H1 | 114.4° | 110.3° |
| C5 | O4 | C8 | 109.3° | 105.3° |
| O4 | C5 | H1 | 115.3° | 110.4° |
| C9 | C8 | O4 | 109.6° | 110.4° |
| C9 | C8 | H4 | 111.4° | 110.4° |
| C8 | C9 | H5 | 107.8° | 109.5° |
| C8 | C9 | H6 | 107.8° | 109.4° |
| O4 | C8 | H4 | 112.8° | 110.4° |
| N5 | C10 | N4 | 107.7° | 109.8° |
| C10 | N5 | C2 | 108.4° | 107.5° |
| N5 | C10 | H7 | 126.2° | 125.1° |
| C10 | N4 | C3 | 108.2° | 109.3° |
| N4 | C10 | H7 | 126.2° | 125.1° |
| N5 | C2 | C3 | 107.7° | 106.1° |
| N5 | C2 | N3 | 131.1° | 134.2° |
| N4 | C3 | C2 | 107.8° | 107.2° |
| N4 | C3 | C4 | 131.5° | 134.1° |
| C3 | C2 | N3 | 120.9° | 119.7° |
| C2 | C3 | C4 | 120.7° | 118.6° |
| C2 | N3 | C1 | 120.9° | 121.1° |
| C3 | C4 | O1 | 120.5° | 120.9° |
| C3 | C4 | N1 | 120.1° | 118.3° |
| N3 | C1 | N2 | 120.7° | 119.0° |
| N3 | C1 | N1 | 119.3° | 122.0° |
| O1 | C4 | N1 | 119.4° | 120.8° |
| C4 | N1 | C1 | 118.0° | 120.3° |
| C4 | N1 | H24 | 121.0° | 119.8° |
| N2 | C1 | N1 | 120.0° | 119.0° |
| C1 | N2 | H25 | 120.0° | 120.0° |
| C1 | N2 | H26 | 120.0° | 120.0° |
| C1 | N1 | H24 | 121.0° | 119.9° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.4° |
| H21 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
| H25 | N2 | H26 | 119.9° | 120.0° |
| H27 | N8 | H28 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C25 | C26 | 179.8° | 179.8° |
| C28 | C27 | C25 | C23 | 180.0° | 180.0° |
| C28 | C27 | C26 | C22 | 180.0° | 179.7° |
| C28 | C27 | C25 | H19 | 0.0° | 0.2° |
| C28 | C27 | C26 | H20 | 0.1° | 0.2° |
| C27 | C28 | H21 | H22 | 120.0° | 120.0° |
| C27 | C28 | H21 | H23 | 120.0° | 120.0° |
| C27 | C28 | H22 | H23 | 120.0° | 120.0° |
| C27 | C25 | C23 | H19 | 180.0° | 179.8° |
| C27 | C25 | C23 | C24 | 0.0° | 0.3° |
| C25 | C27 | C26 | C22 | 0.3° | 0.1° |
| C27 | C25 | C23 | H17 | 179.9° | 179.8° |
| C25 | C27 | C26 | H20 | 179.7° | 180.0° |
| C25 | C27 | C28 | H21 | 89.9° | 90.0° |
| C25 | C27 | C28 | H22 | 150.1° | 150.1° |
| C25 | C27 | C28 | H23 | 30.1° | 30.1° |
| C23 | C25 | C27 | C26 | 0.2° | 0.2° |
| C25 | C23 | C24 | H17 | 180.0° | 179.9° |
| C25 | C23 | C24 | C22 | 0.0° | 0.0° |
| C25 | C23 | C24 | H18 | 180.0° | 180.0° |
| C27 | C26 | C22 | H20 | 180.0° | 180.0° |
| C27 | C26 | C22 | C24 | 0.2° | 0.3° |
| C27 | C26 | C22 | C21 | 179.7° | 180.0° |
| C26 | C27 | C25 | H19 | 179.8° | 180.0° |
| C26 | C27 | C28 | H21 | 89.9° | 90.2° |
| C26 | C27 | C28 | H22 | 30.1° | 29.7° |
| C26 | C27 | C28 | H23 | 150.1° | 149.7° |
| C23 | C24 | C22 | C26 | 0.0° | 0.3° |
| C23 | C24 | C22 | H18 | 180.0° | 180.0° |
| C23 | C24 | C22 | C21 | 179.9° | 180.0° |
| C24 | C23 | C25 | H19 | 179.9° | 180.0° |
| C26 | C22 | C24 | C21 | 179.9° | 179.7° |
| C26 | C22 | C21 | N6 | 15.0° | 90.3° |
| C26 | C22 | C21 | H15 | 135.6° | 29.7° |
| C26 | C22 | C21 | H16 | 105.6° | 149.7° |
| C26 | C22 | C24 | H18 | 180.0° | 179.7° |
| O12 | C18 | C17 | C19 | 115.1° | 118.7° |
| O12 | C18 | C17 | H11 | 127.1° | 122.7° |
| O12 | C18 | C19 | H11 | 127.0° | 122.7° |
| O12 | C18 | C17 | O11 | 48.3° | 0.0° |
| O12 | C18 | C17 | C16 | 163.6° | 118.7° |
| O12 | C18 | C19 | C20 | 75.0° | 98.5° |
| O12 | C18 | C19 | O9 | 163.4° | 142.6° |
| O12 | C18 | C17 | H10 | 77.5° | 122.6° |
| O12 | C18 | C19 | H12 | 45.1° | 23.7° |
| O15 | P2 | O14 | O16 | 119.9° | 119.9° |
| O15 | P2 | O14 | O13 | 119.9° | 120.0° |
| O15 | P2 | O16 | O13 | 112.1° | 120.0° |
| O15 | P2 | O16 | P3 | 166.6° | 45.0° |
| O15 | P2 | O13 | C20 | 32.7° | 55.0° |
| O15 | P2 | O14 | H35 | 0.0° | 180.0° |
| C24 | C22 | C21 | N6 | 165.2° | 90.0° |
| C24 | C22 | C21 | H15 | 44.5° | 150.0° |
| C24 | C22 | C21 | H16 | 74.2° | 30.0° |
| C22 | C24 | C23 | H17 | 180.0° | 179.9° |
| C24 | C22 | C26 | H20 | 179.8° | 179.7° |
| C17 | C18 | C19 | H11 | 118.5° | 118.6° |
| C18 | C17 | O11 | C16 | 110.0° | 114.6° |
| C18 | C17 | O11 | H10 | 125.4° | 122.8° |
| C18 | C17 | C16 | H10 | 119.4° | 118.9° |
| C17 | C18 | C19 | C20 | 170.4° | 142.8° |
| C17 | C18 | C19 | O9 | 48.9° | 24.0° |
| C18 | C17 | C16 | N10 | 87.5° | 142.9° |
| C18 | C17 | C16 | O9 | 30.9° | 24.0° |
| C18 | C17 | C16 | H9 | 149.8° | 94.8° |
| C17 | C18 | C19 | H12 | 69.4° | 95.0° |
| C18 | C17 | O11 | H33 | 180.0° | 65.4° |
| C17 | C18 | O12 | H34 | 180.0° | 61.4° |
| C19 | C18 | C17 | O11 | 66.8° | 118.6° |
| C19 | C18 | C17 | C16 | 48.4° | 0.0° |
| C18 | C19 | C20 | O9 | 111.2° | 115.4° |
| C18 | C19 | C20 | H12 | 120.1° | 122.2° |
| C18 | C19 | O9 | H12 | 117.2° | 118.9° |
| C18 | C19 | C20 | O13 | 64.2° | 175.0° |
| C18 | C19 | O9 | C16 | 30.4° | 40.5° |
| C19 | C18 | C17 | H10 | 167.4° | 118.7° |
| C18 | C19 | C20 | H13 | 175.6° | 55.0° |
| C18 | C19 | C20 | H14 | 55.9° | 65.1° |
| C19 | C18 | O12 | H34 | 72.6° | 176.1° |
| C22 | C21 | N6 | C14 | 74.8° | 85.0° |
| C22 | C21 | N6 | H15 | 120.6° | 120.1° |
| C22 | C21 | N6 | H16 | 120.6° | 120.0° |
| C22 | C21 | N6 | C11 | 106.3° | 94.9° |
| C22 | C21 | H15 | H16 | 118.2° | 120.0° |
| C21 | C22 | C24 | H18 | 0.2° | 0.0° |
| C21 | C22 | C26 | H20 | 0.3° | 0.0° |
| O11 | C17 | C16 | H10 | 125.4° | 122.6° |
| O11 | C17 | C16 | N10 | 157.3° | 98.5° |
| O11 | C17 | C16 | O9 | 84.3° | 142.6° |
| O11 | C17 | C16 | H9 | 34.6° | 23.8° |
| O11 | C17 | C18 | H11 | 175.3° | 122.8° |
| C17 | C16 | N10 | C15 | 79.8° | 88.1° |
| C17 | C16 | O9 | C19 | 0.5° | 40.5° |
| C17 | C16 | N10 | C11 | 93.8° | 92.0° |
| C17 | C16 | N10 | O9 | 114.4° | 115.4° |
| C17 | C16 | N10 | H9 | 122.4° | 122.3° |
| C17 | C16 | O9 | H9 | 118.3° | 118.8° |
| C16 | C17 | C18 | H11 | 69.4° | 118.6° |
| C16 | C17 | O11 | H33 | 70.0° | 179.9° |
| O14 | P2 | O16 | O13 | 124.1° | 120.0° |
| O14 | P2 | O16 | P3 | 42.8° | 75.0° |
| O14 | P2 | O13 | C20 | 156.6° | 65.0° |
| N8 | C12 | N9 | N7 | 179.9° | 179.9° |
| N8 | C12 | N9 | C13 | 179.9° | 180.0° |
| N8 | C12 | N7 | C15 | 179.1° | 180.0° |
| C12 | N8 | H27 | H28 | 180.0° | 179.9° |
| N8 | C12 | N9 | H29 | 0.1° | 0.0° |
| C12 | N9 | C13 | H29 | 180.0° | 180.0° |
| C12 | N9 | C13 | O10 | 179.9° | 180.0° |
| C12 | N9 | C13 | C14 | 0.2° | 0.0° |
| N9 | C12 | N7 | C15 | 1.0° | 0.0° |
| N9 | C12 | N8 | H27 | 179.9° | 180.0° |
| N9 | C12 | N8 | H28 | 0.1° | 0.1° |
| C13 | N9 | C12 | N7 | 0.0° | 0.0° |
| N9 | C13 | O10 | C14 | 179.9° | 180.0° |
| N9 | C13 | C14 | C15 | 1.3° | 0.0° |
| N9 | C13 | C14 | N6 | 179.2° | 179.9° |
| O16 | P2 | O13 | C20 | 79.4° | 175.0° |
| P2 | O16 | P3 | O18 | 117.5° | 40.0° |
| P2 | O16 | P3 | O17 | 6.2° | 80.0° |
| P2 | O16 | P3 | O8 | 118.4° | 160.0° |
| O16 | P2 | O14 | H35 | 119.9° | 60.0° |
| O13 | P2 | O16 | P3 | 81.2° | 165.0° |
| P2 | O13 | C20 | C19 | 125.9° | 180.0° |
| P2 | O13 | C20 | H13 | 114.0° | 60.0° |
| P2 | O13 | C20 | H14 | 5.8° | 60.0° |
| O13 | P2 | O14 | H35 | 119.9° | 60.0° |
| C12 | N7 | C15 | C14 | 2.1° | 0.0° |
| C12 | N7 | C15 | N10 | 177.3° | 180.0° |
| N7 | C12 | N8 | H27 | 0.0° | 0.0° |
| N7 | C12 | N8 | H28 | 180.0° | 180.0° |
| N7 | C12 | N9 | H29 | 180.0° | 180.0° |
| O10 | C13 | C14 | C15 | 178.8° | 180.0° |
| O10 | C13 | C14 | N6 | 0.9° | 0.0° |
| O10 | C13 | N9 | H29 | 0.0° | 0.0° |
| C13 | C14 | C15 | N7 | 2.3° | 0.0° |
| C13 | C14 | C15 | N6 | 178.4° | 180.0° |
| C13 | C14 | C15 | N10 | 178.3° | 180.0° |
| C13 | C14 | N6 | C21 | 1.3° | 0.1° |
| C13 | C14 | N6 | C11 | 179.6° | 179.8° |
| C14 | C13 | N9 | H29 | 179.8° | 180.0° |
| N7 | C15 | C14 | N10 | 176.1° | 180.0° |
| N7 | C15 | C14 | N6 | 179.3° | 180.0° |
| N7 | C15 | N10 | C11 | 179.4° | 179.9° |
| N7 | C15 | N10 | C16 | 5.1° | 0.0° |
| C15 | C14 | N6 | C21 | 179.4° | 179.9° |
| C15 | C14 | N6 | C11 | 1.5° | 0.2° |
| C14 | C15 | N10 | C11 | 3.8° | 0.1° |
| C14 | C15 | N10 | C16 | 179.3° | 180.0° |
| N6 | C14 | C15 | N10 | 3.3° | 0.1° |
| C14 | N6 | C21 | C11 | 179.0° | 179.9° |
| C14 | N6 | C11 | N10 | 0.8° | 0.3° |
| C14 | N6 | C11 | H8 | 179.2° | 180.0° |
| C14 | N6 | C21 | H15 | 164.6° | 35.1° |
| C14 | N6 | C21 | H16 | 45.8° | 155.0° |
| C15 | N10 | C11 | N6 | 2.8° | 0.2° |
| C15 | N10 | C11 | C16 | 173.8° | 179.9° |
| C15 | N10 | C16 | O9 | 165.8° | 156.5° |
| C15 | N10 | C11 | H8 | 177.2° | 180.0° |
| C15 | N10 | C16 | H9 | 42.7° | 34.2° |
| O16 | P3 | O18 | O17 | 119.1° | 120.0° |
| O16 | P3 | O18 | O8 | 119.5° | 120.0° |
| O16 | P3 | O17 | O8 | 111.6° | 120.0° |
| O16 | P3 | O8 | P1 | 81.0° | 165.0° |
| O16 | P3 | O17 | H36 | 123.1° | 60.0° |
| C21 | N6 | C11 | N10 | 178.4° | 179.8° |
| C21 | N6 | C11 | H8 | 1.6° | 0.0° |
| N6 | C21 | H15 | H16 | 118.2° | 120.0° |
| N6 | C11 | N10 | H8 | 180.0° | 179.8° |
| N6 | C11 | N10 | C16 | 176.6° | 179.9° |
| C11 | N6 | C21 | H15 | 14.4° | 145.0° |
| C11 | N6 | C21 | H16 | 133.1° | 25.0° |
| C20 | C19 | O9 | H12 | 128.0° | 122.3° |
| C19 | C20 | O13 | H13 | 120.1° | 120.0° |
| C19 | C20 | O13 | H14 | 120.1° | 120.0° |
| C20 | C19 | O9 | C16 | 145.2° | 159.3° |
| C20 | C19 | C18 | H11 | 51.9° | 24.2° |
| C19 | C20 | H13 | H14 | 119.6° | 120.1° |
| C19 | O9 | C16 | N10 | 119.3° | 159.5° |
| O9 | C19 | C20 | O13 | 47.0° | 69.6° |
| C19 | O9 | C16 | H9 | 117.8° | 78.3° |
| O9 | C19 | C18 | H11 | 69.6° | 94.6° |
| O9 | C19 | C20 | H13 | 73.2° | 170.4° |
| O9 | C19 | C20 | H14 | 167.1° | 50.3° |
| C11 | N10 | C16 | O9 | 20.6° | 23.4° |
| C11 | N10 | C16 | H9 | 143.8° | 145.7° |
| N10 | C16 | O9 | H9 | 122.9° | 122.2° |
| C16 | N10 | C11 | H8 | 3.5° | 0.1° |
| N10 | C16 | C17 | H10 | 31.8° | 24.0° |
| O13 | C20 | C19 | H12 | 175.6° | 52.8° |
| O13 | C20 | H13 | H14 | 119.6° | 119.9° |
| O9 | C16 | C17 | H10 | 150.3° | 94.9° |
| C16 | O9 | C19 | H12 | 86.8° | 78.4° |
| O2 | C6 | C7 | O3 | 42.8° | 0.0° |
| O2 | C6 | C7 | C5 | 114.4° | 118.6° |
| O2 | C6 | C7 | H2 | 127.2° | 122.7° |
| O2 | C6 | C5 | H2 | 127.4° | 122.7° |
| O2 | C6 | C7 | C8 | 158.7° | 118.7° |
| O2 | C6 | C5 | N5 | 90.5° | 98.6° |
| O2 | C6 | C5 | O4 | 165.7° | 142.6° |
| O2 | C6 | C5 | H1 | 42.7° | 23.7° |
| O2 | C6 | C7 | H3 | 82.7° | 122.7° |
| O18 | P3 | O17 | O8 | 125.3° | 120.0° |
| O18 | P3 | O8 | P1 | 42.3° | 45.0° |
| O18 | P3 | O17 | H36 | 0.0° | 180.0° |
| O6 | P1 | O8 | P3 | 2.7° | 40.0° |
| O6 | P1 | O5 | O8 | 112.4° | 120.0° |
| O6 | P1 | O5 | O7 | 123.6° | 120.0° |
| O6 | P1 | O5 | C9 | 112.5° | 55.0° |
| O6 | P1 | O8 | O7 | 123.9° | 120.1° |
| O6 | P1 | O7 | H32 | 0.0° | 180.0° |
| O17 | P3 | O8 | P1 | 167.5° | 75.0° |
| P3 | O8 | P1 | O5 | 114.9° | 160.0° |
| P3 | O8 | P1 | O7 | 121.2° | 80.0° |
| O8 | P3 | O17 | H36 | 125.3° | 60.0° |
| O3 | C7 | C6 | C8 | 116.0° | 118.7° |
| O3 | C7 | C6 | H3 | 125.4° | 122.7° |
| O3 | C7 | C6 | C5 | 71.6° | 118.6° |
| O3 | C7 | C8 | H3 | 124.9° | 122.8° |
| O3 | C7 | C8 | C9 | 148.7° | 98.5° |
| O3 | C7 | C8 | O4 | 95.3° | 142.6° |
| O3 | C7 | C6 | H2 | 169.9° | 122.7° |
| O3 | C7 | C8 | H4 | 25.9° | 23.8° |
| C7 | C6 | C5 | H2 | 118.5° | 118.7° |
| C6 | C7 | C8 | H3 | 118.8° | 118.6° |
| C7 | C6 | C5 | N5 | 155.3° | 142.8° |
| C7 | C6 | C5 | O4 | 51.5° | 24.0° |
| C6 | C7 | C8 | C9 | 95.0° | 142.8° |
| C6 | C7 | C8 | O4 | 21.0° | 24.0° |
| C7 | C6 | C5 | H1 | 71.5° | 94.9° |
| C6 | C7 | C8 | H4 | 142.2° | 94.9° |
| C7 | C6 | O2 | H30 | 180.0° | 61.5° |
| C6 | C7 | O3 | H31 | 180.0° | 61.5° |
| C5 | C6 | C7 | C8 | 44.3° | 0.0° |
| C6 | C5 | N5 | O4 | 104.2° | 115.4° |
| C6 | C5 | N5 | H1 | 132.9° | 122.4° |
| C6 | C5 | O4 | H1 | 121.9° | 119.0° |
| C6 | C5 | O4 | C8 | 40.6° | 40.5° |
| C6 | C5 | N5 | C10 | 39.7° | 91.8° |
| C6 | C5 | N5 | C2 | 150.1° | 87.6° |
| C5 | C6 | C7 | H3 | 162.9° | 118.6° |
| C5 | C6 | O2 | H30 | 73.1° | 176.1° |
| C7 | C8 | C9 | O5 | 42.4° | 175.0° |
| C7 | C8 | O4 | C5 | 12.4° | 40.5° |
| C7 | C8 | C9 | O4 | 111.6° | 115.4° |
| C7 | C8 | C9 | H4 | 122.9° | 122.3° |
| C7 | C8 | O4 | H4 | 120.3° | 118.8° |
| C8 | C7 | C6 | H2 | 74.1° | 118.7° |
| C7 | C8 | C9 | H5 | 78.5° | 55.0° |
| C7 | C8 | C9 | H6 | 163.4° | 65.1° |
| C8 | C7 | O3 | H31 | 68.8° | 176.1° |
| O5 | P1 | O8 | O7 | 124.0° | 120.0° |
| P1 | O5 | C9 | C8 | 164.6° | 180.0° |
| P1 | O5 | C9 | H5 | 74.4° | 60.0° |
| P1 | O5 | C9 | H6 | 43.6° | 60.0° |
| O5 | P1 | O7 | H32 | 119.6° | 60.0° |
| C9 | O5 | P1 | O8 | 135.1° | 175.0° |
| C9 | O5 | P1 | O7 | 11.0° | 65.0° |
| O5 | C9 | C8 | H5 | 120.9° | 120.0° |
| O5 | C9 | C8 | H6 | 121.0° | 120.0° |
| O5 | C9 | C8 | O4 | 69.2° | 69.6° |
| O5 | C9 | C8 | H4 | 165.3° | 52.7° |
| O5 | C9 | H5 | H6 | 117.0° | 120.0° |
| O8 | P1 | O7 | H32 | 120.1° | 60.0° |
| N5 | C5 | O4 | H1 | 122.3° | 122.2° |
| N5 | C5 | O4 | C8 | 156.4° | 159.3° |
| C5 | N5 | C10 | C2 | 171.3° | 179.5° |
| C5 | N5 | C10 | N4 | 175.6° | 180.0° |
| C5 | N5 | C2 | C3 | 176.7° | 180.0° |
| C5 | N5 | C2 | N3 | 8.6° | 0.4° |
| N5 | C5 | C6 | H2 | 36.8° | 24.1° |
| C5 | N5 | C10 | H7 | 4.4° | 0.0° |
| C5 | O4 | C8 | C9 | 127.4° | 159.4° |
| O4 | C5 | N5 | C10 | 64.4° | 23.6° |
| O4 | C5 | N5 | C2 | 105.7° | 157.0° |
| O4 | C5 | C6 | H2 | 66.9° | 94.7° |
| C5 | O4 | C8 | H4 | 107.9° | 78.3° |
| C9 | C8 | O4 | H4 | 124.7° | 122.3° |
| C9 | C8 | C7 | H3 | 23.8° | 24.2° |
| C8 | C9 | H5 | H6 | 117.0° | 120.0° |
| C8 | O4 | C5 | H1 | 81.3° | 78.4° |
| O4 | C8 | C7 | H3 | 139.8° | 94.6° |
| O4 | C8 | C9 | H5 | 169.9° | 170.4° |
| O4 | C8 | C9 | H6 | 51.8° | 50.4° |
| N5 | C10 | N4 | H7 | 180.0° | 180.0° |
| N5 | C10 | N4 | C3 | 2.1° | 0.3° |
| C10 | N5 | C2 | C3 | 4.8° | 0.5° |
| C10 | N5 | C2 | N3 | 179.5° | 179.9° |
| C10 | N5 | C5 | H1 | 172.7° | 145.9° |
| N4 | C10 | N5 | C2 | 4.3° | 0.5° |
| C10 | N4 | C3 | C2 | 0.8° | 0.0° |
| C10 | N4 | C3 | C4 | 180.0° | 179.6° |
| N5 | C2 | C3 | N4 | 3.5° | 0.3° |
| N5 | C2 | C3 | N3 | 175.4° | 179.7° |
| N5 | C2 | C3 | C4 | 177.3° | 180.0° |
| N5 | C2 | N3 | C1 | 176.0° | 179.6° |
| C2 | N5 | C5 | H1 | 17.2° | 34.8° |
| C2 | N5 | C10 | H7 | 175.7° | 179.5° |
| N4 | C3 | C2 | C4 | 179.3° | 179.7° |
| N4 | C3 | C2 | N3 | 178.8° | 180.0° |
| N4 | C3 | C4 | O1 | 0.2° | 0.3° |
| N4 | C3 | C4 | N1 | 180.0° | 179.9° |
| C3 | N4 | C10 | H7 | 177.9° | 179.7° |
| C3 | C2 | N3 | C1 | 1.9° | 0.0° |
| C2 | C3 | C4 | O1 | 178.8° | 179.9° |
| C2 | C3 | C4 | N1 | 0.9° | 0.3° |
| N3 | C2 | C3 | C4 | 1.9° | 0.3° |
| C2 | N3 | C1 | N2 | 179.3° | 180.0° |
| C2 | N3 | C1 | N1 | 1.0° | 0.3° |
| C3 | C4 | O1 | N1 | 179.8° | 179.8° |
| C3 | C4 | N1 | C1 | 0.0° | 0.0° |
| C3 | C4 | N1 | H24 | 180.0° | 179.9° |
| N3 | C1 | N1 | C4 | 0.0° | 0.3° |
| N3 | C1 | N2 | N1 | 179.7° | 179.7° |
| N3 | C1 | N1 | H24 | 180.0° | 179.7° |
| N3 | C1 | N2 | H25 | 0.0° | 179.8° |
| N3 | C1 | N2 | H26 | 180.0° | 0.3° |
| O1 | C4 | N1 | C1 | 179.8° | 179.8° |
| O1 | C4 | N1 | H24 | 0.2° | 0.3° |
| C4 | N1 | C1 | N2 | 179.8° | 180.0° |
| C4 | N1 | C1 | H24 | 180.0° | 180.0° |
| N2 | C1 | N1 | H24 | 0.2° | 0.0° |
| C1 | N2 | H25 | H26 | 180.0° | 179.9° |
| N1 | C1 | N2 | H25 | 179.7° | 0.1° |
| N1 | C1 | N2 | H26 | 0.3° | 180.0° |
| H1 | C5 | C6 | H2 | 170.1° | 146.4° |
| H2 | C6 | C7 | H3 | 44.5° | 0.1° |
| H2 | C6 | O2 | H30 | 53.5° | 61.2° |
| H3 | C7 | C8 | H4 | 99.0° | 146.5° |
| H3 | C7 | O3 | H31 | 55.3° | 61.2° |
| H4 | C8 | C9 | H5 | 44.4° | 67.3° |
| H4 | C8 | C9 | H6 | 73.7° | 172.7° |
| H9 | C16 | C17 | H10 | 90.8° | 146.3° |
| H10 | C17 | C18 | H11 | 49.5° | 0.1° |
| H10 | C17 | O11 | H33 | 54.6° | 57.4° |
| H11 | C18 | C19 | H12 | 172.1° | 146.4° |
| H11 | C18 | O12 | H34 | 53.4° | 61.3° |
| H12 | C19 | C20 | H13 | 55.5° | 67.2° |
| H12 | C19 | C20 | H14 | 64.3° | 172.7° |
| H17 | C23 | C24 | H18 | 0.0° | 0.1° |
| H17 | C23 | C25 | H19 | 0.1° | 0.0° |
| H21 | C28 | H22 | H23 | 120.0° | 120.0° |
